KZr(AgI4)2
Alexandria ALEXAlex-ID: agm004913639 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_290_spg2
K2ZrI6 ZrI4 I AgI
2023-01-01 22:25:56.154735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004913639).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm004913639
data_agm004913639
_cell_length_a 7.58508
_cell_length_b 7.25071
_cell_length_c 10.10566
_cell_angle_alpha 66.88968
_cell_angle_beta 87.58976
_cell_angle_gamma 96.37351
_cell_volume 505.78857
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K1 K 0.00000 0.00000 0.50000 1.00000
Zr1 Zr 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.54049 0.34452 0.71070 1.00000
Ag2 Ag 0.45951 0.65548 0.28930 1.00000
I1 I 0.08174 0.69770 0.27569 1.00000
I2 I 0.65481 0.76202 0.02486 1.00000
I3 I 0.85353 0.21289 0.14888 1.00000
I4 I 0.91826 0.30230 0.72431 1.00000
I5 I 0.34519 0.23798 0.97514 1.00000
I6 I 0.14647 0.78711 0.85112 1.00000
I7 I 0.51910 0.75947 0.52599 1.00000
I8 I 0.48090 0.24053 0.47401 1.00000
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